Physalin L

C28H32O10CAS 113146-74-0528.55 g/mol

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AlcoholAlkeneEsterEtherKetoneLactone

Properties

Molecular formula
C28H32O10
Molar mass
528.55 g/mol
Exact mass
528.1995 Da
logP
0.51Crippen estimate
Polar surface area
156.7 Ų
H-bond donors / acceptors
3 / 10
Rotatable bonds
0
Stereocentres
S, R, S, S, R, R, S, R, S, S, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
113146-74-0
SMILES
C[C@@H]1C(=O)O[C@@H]2C[C@@]1(C)[C@@H]1C(=O)[C@]3(O)O[C@]14[C@@]2(C)OC(=O)[C@@]4(O)CC[C@H]1[C@H]3[C@H](O)C=C2C=CCC(=O)[C@@]21C
InChIKey
CUSXWWXXAPEFHY-HRLARMCRSA-N
InChI
InChI=1S/C28H32O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5-6,10,12,14-15,17-19,29,34-35H,7-9,11H2,1-4H3/t12-,14+,15-,17-,18+,19+,23-,24+,25+,26+,27-,28+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 1,17:2,6-Dimethano-8H-naphtho[1,2-f]furo[3,4-b:2,3-c′]bisoxocin-4,8,11,19(1H,8aH)-tetrone, 2,3,6,6a,9,10,10a,10b,12,16,16a,17-dodecahydro-8a,16,17-trihydroxy-2,3,6a,10b-tetramethyl-, (1S,2S,3S,6R,6aS,8aR,10aS,10bR,16R,16aS,17R,18aR)-
  • 16,24-Cyclo-13,14-secoergosta-3,5-diene-18,26-dioic acid, 14,17-epoxy-7,13,14,20,22-pentahydroxy-1,15-dioxo-, γ-lactone δ-lactone, (7α,14α,16β,22α,25S)-
  • (1S,2S,3S,6R,6aS,8aR,10aS,10bR,16R,16aS,17R,18aR)-2,3,6,6a,9,10,10a,10b,12,16,16a,17-Dodecahydro-8a,16,17-trihydroxy-2,3,6a,10b-tetramethyl-1,17:2,6-dimethano-8H-naphtho[1,2-f]furo[3,4-b:2,3-c′]bisoxocin-4,8,11,19(1H,8aH)-tetrone
  • 1,17:2,6-Dimethano-8H-naphtho[1,2-f]furo[3,4-b:2,3-c′]bisoxocin-4,8,11,19(1H,8aH)-tetrone, 2,3,6,6a,9,10,10a,10b,12,16,16a,17-dodecahydro-8a,16,17-trihydroxy-2,3,6a,10b-tetramethyl-, [1S-(1α,2β,3β,6β,6aα,8aα,10aα,10bβ,16α,16aβ,17β,18aS*)]-
  • (-)-Physalin L

Work with Physalin L

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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